69736205 -OEChem-03282418482D 53 56 0 1 0 0 0 0 0999 V2000 7.1172 -1.5108 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.0496 0.8421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1133 0.7184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8906 0.8289 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 11.6420 -0.7855 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7057 -0.9092 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.6318 -0.1370 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1540 1.8115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4108 -1.0027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0307 -0.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5817 -0.4435 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.2895 0.3201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8574 0.5178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8760 -0.1427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9363 -0.4847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1702 0.1581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7626 -1.4695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2305 -0.1839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8230 -1.8115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0569 -1.1688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3512 -0.8680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4115 -1.2100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5248 0.1168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6454 -0.5672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7588 0.7596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8191 0.4176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9397 -0.2665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4118 -0.9580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4718 2.3439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5408 1.9035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0049 -1.4714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8274 -1.4618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8358 -1.2344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6247 -0.8236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1283 -0.0206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8835 0.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4845 0.9087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8523 1.1378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2430 0.6016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5344 -1.3961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2779 0.7687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2376 -1.8680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7556 0.2146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7153 -2.4221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3038 -1.8206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1074 0.3289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8664 1.3702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3441 0.8161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5981 -1.5198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -0.0259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4174 -0.8205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2120 -1.1911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 14 2 0 0 0 0 3 27 2 0 0 0 0 4 8 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 11 5 1 1 0 0 0 5 14 1 0 0 0 0 5 41 1 0 0 0 0 6 24 1 0 0 0 0 6 27 1 0 0 0 0 6 50 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 29 1 1 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 11 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 12 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 13 1 0 0 0 0 11 36 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 42 1 0 0 0 0 17 19 2 0 0 0 0 17 43 1 0 0 0 0 18 20 2 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 22 24 2 0 0 0 0 22 46 1 0 0 0 0 23 25 1 0 0 0 0 23 47 1 0 0 0 0 24 26 1 0 0 0 0 25 26 2 0 0 0 0 25 48 1 0 0 0 0 26 49 1 0 0 0 0 27 28 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 M END > 69736205 > 1 > 564 > 4 > 2 > 5 > AAADceB7MABAAAAAAAAAAAAAAAAAAWAAAAA8YIAABYAAAAABQAAAHgQQAAAADSjB2AQywYPAAAiIAiVSUACCAAAlChAIiJkIZMgIYDLglZGUIQxglgDoyYcYiACOEAAAACAAAAAgAAAAQAAAAAAAAAAAAA== > 4-(3-acetamidophenyl)sulfanyl-N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]benzamide > 4-[(3-acetamidophenyl)thio]-N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]benzamide > 4-(3-acetamidophenyl)sulfanyl-N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]benzamide > 4-(3-acetamidophenyl)sulfanyl-N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]benzamide > 4-(3-acetamidophenyl)sulfanyl-N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]benzamide > 4-[(3-acetamidophenyl)thio]-N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]benzamide > InChI=1S/C22H25N3O2S/c1-15(26)23-18-3-2-4-21(12-18)28-20-7-5-17(6-8-20)22(27)24-19-11-16-9-10-25(13-16)14-19/h2-8,12,16,19H,9-11,13-14H2,1H3,(H,23,26)(H,24,27)/t16-,19-/m1/s1 > RWLCNJMWWOHIBK-VQIMIIECSA-N > 3.1 > 395.16674822 > C22H25N3O2S > 395.5 > CC(=O)NC1=CC(=CC=C1)SC2=CC=C(C=C2)C(=O)NC3CC4CCN(C4)C3 > CC(=O)NC1=CC(=CC=C1)SC2=CC=C(C=C2)C(=O)N[C@@H]3C[C@H]4CCN(C4)C3 > 86.7 > 395.16674822 > 0 > 28 > 2 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 15 16 8 15 17 8 16 18 8 17 19 8 18 20 8 19 20 8 21 22 8 21 23 8 22 24 8 23 25 8 24 26 8 25 26 8 11 5 5 7 29 5 $$$$